Information card for entry 4075330

Structure parameters

• Formula: C44 H44 B F20 N5 Ti
• Calculated formula: C44 H44 B F20 N5 Ti
• SMILES: [Ti](=Nc1c(cccc1C(C)C)C(C)C)(N(C)C)([NH](C)C)([NH](C)C)[NH](C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes
• Authors of publication: Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2402
• a: 11.516 ± 0.002 Å
• b: 13.155 ± 0.003 Å
• c: 16.474 ± 0.003 Å
• α: 88.869 ± 0.005°
• β: 73.304 ± 0.005°
• γ: 86.209 ± 0.005°
• Cell volume: 2385.3 ± 0.8 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No